Geometry & MOs

Info

ID:	395110
PubChem CID:	135024678
Reduced:	ClNSO2H20C23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	501.02595
ΔH_f, kcal/mol:	1.62
Dipole, Da:	5.55
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C=C[C@H]2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations